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Crystal Lab › Prototype structures › Orthorhombic

RuB₂

Orthorhombic · space group Pmmn (No. 59) · Pearson oP6

Symmetry elements and Wyckoff positions (interactive)

RuB₂ in Pmmn

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit cell

Lattice constants
a = 2.865 Å, b = 4.645 Å, c = 4.045 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
53.8 ų
Atoms in the conventional cell
6 (Ru 2, B 4)
Formula units Z
2
Pearson symbol
oP6 — orthorhombic, primitive lattice, 6 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Ru2Ru2a20.25000.25000.8492
B1B4e40.25000.44100.3610

The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 6 atoms drawn above are these sites multiplied by all 8 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.

How to read the label

A2B_oP6_59_e_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP6, then the space-group number 59, then the Wyckoff letters occupied by each element in turn (Ru: 2a; B: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

OsB₂ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B_oP6_59_e_a-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.

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